Atomic-scale to Meso-scale Simulation Studies of Thermal Ageing and Irradiation Effects in Fe- Cr Alloys
Abstract
In this project, we target at three primary objectives: Molecular Dynamics (MD) code development for Fe-Cr alloys, which can be utilized to provide thermodynamic and kinetic properties as inputs in mesoscale Phase Field (PF) simulations; validation and implementation of the MD code to explain thermal ageing and radiation damage; and an integrated modeling platform for MD and PF simulations. These two simulation tools, MD and PF, will ultimately be merged to understand and quantify the kinetics and mechanisms of microstructure and property evolution of Fe-Cr alloys under various thermal and irradiation environments
- Authors:
-
- Boston Univ., Boston, MA (United States)
- Rensselaer Polytechnic Inst., Troy, NY (United States)
- Publication Date:
- Research Org.:
- Boston Univ., MA (United States)
- Sponsoring Org.:
- USDOE Office of Energy Efficiency and Renewable Energy (EERE), Renewable Power Office. Wind Energy Technologies Office; USDOE Office of Nuclear Energy (NE)
- OSTI Identifier:
- 1439974
- Report Number(s):
- DOE/NEUP-12-3382
12-3382; TRN: US1902716
- DOE Contract Number:
- AC07-05ID14517
- Resource Type:
- Technical Report
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; SIMULATION; AGING; ALLOYS; IRRADIATION
Citation Formats
Stanley, Eugene, and Liu, Li. Atomic-scale to Meso-scale Simulation Studies of Thermal Ageing and Irradiation Effects in Fe- Cr Alloys. United States: N. p., 2018.
Web. doi:10.2172/1439974.
Stanley, Eugene, & Liu, Li. Atomic-scale to Meso-scale Simulation Studies of Thermal Ageing and Irradiation Effects in Fe- Cr Alloys. United States. https://doi.org/10.2172/1439974
Stanley, Eugene, and Liu, Li. 2018.
"Atomic-scale to Meso-scale Simulation Studies of Thermal Ageing and Irradiation Effects in Fe- Cr Alloys". United States. https://doi.org/10.2172/1439974. https://www.osti.gov/servlets/purl/1439974.
@article{osti_1439974,
title = {Atomic-scale to Meso-scale Simulation Studies of Thermal Ageing and Irradiation Effects in Fe- Cr Alloys},
author = {Stanley, Eugene and Liu, Li},
abstractNote = {In this project, we target at three primary objectives: Molecular Dynamics (MD) code development for Fe-Cr alloys, which can be utilized to provide thermodynamic and kinetic properties as inputs in mesoscale Phase Field (PF) simulations; validation and implementation of the MD code to explain thermal ageing and radiation damage; and an integrated modeling platform for MD and PF simulations. These two simulation tools, MD and PF, will ultimately be merged to understand and quantify the kinetics and mechanisms of microstructure and property evolution of Fe-Cr alloys under various thermal and irradiation environments},
doi = {10.2172/1439974},
url = {https://www.osti.gov/biblio/1439974},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Tue May 22 00:00:00 EDT 2018},
month = {Tue May 22 00:00:00 EDT 2018}
}
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